CID 187917

57701-87-8

Structural Information

Molecular Formula
C19H24O7
SMILES
COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2)CCCO)O)O)O
InChI
InChI=1S/C19H24O7/c1-25-17-10-13(5-6-14(17)22)19(24)18(11-21)26-16-7-4-12(3-2-8-20)9-15(16)23/h4-7,9-10,18-24H,2-3,8,11H2,1H3
InChIKey
KMYQEVOSRSCASE-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-4-(3-hydroxypropyl)phenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1522 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15948 184.1
[M+Na]+ 387.14142 188.2
[M-H]- 363.14492 184.0
[M+NH4]+ 382.18602 192.9
[M+K]+ 403.11536 185.2
[M+H-H2O]+ 347.14946 176.3
[M+HCOO]- 409.15040 198.4
[M+CH3COO]- 423.16605 206.9
[M+Na-2H]- 385.12687 182.3
[M]+ 364.15165 186.1
[M]- 364.15275 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.